ethyl 2-(3-azaspiro[5.5]undecan-9-yl)acetate;hydrochloride

C14H26ClNO2 — CID 91927620

IUPACethyl 2-(3-azaspiro[5.5]undecan-9-yl)acetate;hydrochloride
SMILESCCOC(=O)CC1CCC2(CCNCC2)CC1.Cl
InChIInChI=1S/C14H25NO2.ClH/c1-2-17-13(16)11-12-3-5-14(6-4-12)7-9-15-10-8-14;/h12,15H,2-11H2,1H3;1H
InChIKeyQRFATOAMIXVMSA-UHFFFAOYSA-N
MW275.82 g/mol
LogP2.92
Rot. Bonds3

About ethyl 2-(3-azaspiro[5.5]undecan-9-yl)acetate;hydrochloride

ethyl 2-(3-azaspiro[5.5]undecan-9-yl)acetate;hydrochloride (PubChem CID 91927620) has the molecular formula C14H26ClNO2 and a molecular weight of 275.82 g/mol. Its IUPAC name is ethyl 2-(3-azaspiro[5.5]undecan-9-yl)acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(3-azaspiro[5.5]undecan-9-yl)acetate;hydrochloride
PubChem CID91927620
Molecular FormulaC14H26ClNO2
Molecular Weight275.82 g/mol
Exact Mass275.17
IUPAC Nameethyl 2-(3-azaspiro[5.5]undecan-9-yl)acetate;hydrochloride
SMILESCCOC(=O)CC1CCC2(CCNCC2)CC1.Cl
InChIInChI=1S/C14H25NO2.ClH/c1-2-17-13(16)11-12-3-5-14(6-4-12)7-9-15-10-8-14;/h12,15H,2-11H2,1H3;1H
InChIKeyQRFATOAMIXVMSA-UHFFFAOYSA-N
XLogP2.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.82
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-azaspiro[5.5]undecan-9-yl)acetate;hydrochloride?
The IUPAC name of ethyl 2-(3-azaspiro[5.5]undecan-9-yl)acetate;hydrochloride (CID 91927620) is ethyl 2-(3-azaspiro[5.5]undecan-9-yl)acetate;hydrochloride.
What is the SMILES notation for ethyl 2-(3-azaspiro[5.5]undecan-9-yl)acetate;hydrochloride?
The canonical SMILES for ethyl 2-(3-azaspiro[5.5]undecan-9-yl)acetate;hydrochloride is CCOC(=O)CC1CCC2(CCNCC2)CC1.Cl.
What is the InChIKey of ethyl 2-(3-azaspiro[5.5]undecan-9-yl)acetate;hydrochloride?
The InChIKey is QRFATOAMIXVMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2.ClH/c1-2-17-13(16)11-12-3-5-14(6-4-12)7-9-15-10-8-14;/h12,15H,2-11H2,1H3;1H.
What are the key properties of ethyl 2-(3-azaspiro[5.5]undecan-9-yl)acetate;hydrochloride?
ethyl 2-(3-azaspiro[5.5]undecan-9-yl)acetate;hydrochloride has a molecular weight of 275.82 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-azaspiro[5.5]undecan-9-yl)acetate;hydrochloride is sourced from PubChem (CID 91927620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).